How to Build Molecules with Large Magnetic Anisotropy

Cirera, Jordi; Ruiz, Eliseo; Alvarez, Santiago; Neese, Frank; Kortus, Jens

doi:10.1002/chem.200801608

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How to Build Molecules with Large Magnetic Anisotropy

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Cirera, J., Ruiz, E., Alvarez, S., Neese, F., & Kortus, J. (2009). How to Build Molecules with Large Magnetic Anisotropy. Chemistry – A European Journal, 15(16), 4078-4087. doi:10.1002/chem.200801608.

Cite as: https://hdl.handle.net/21.11116/0000-0008-3334-4

Abstract

Predicting single‐molecule magnets? Magnetic anisotropy, a property that plays a key role in single‐molecule magnets (SMMs), has been analyzed by using theoretical methods. Mononuclear complexes and the dependence of the magnetic anisotropy on their geometrical and electronic structure, as well as how such mononuclear complexes must be combined as building blocks to obtain polynuclear complexes with large anisotropy (see figure) are considered.